HMDB0112108 RDKit 3D FAHFA(16:1(9Z)/9-O-18:0) 102101 0 0 0 0 0 0 0 0999 V2000 9.4908 -2.5820 1.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9190 -1.1570 1.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7633 -0.1817 1.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2966 1.1856 1.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9495 1.3805 0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0087 1.1554 -1.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9402 2.1338 -0.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6474 1.9127 -0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1004 0.5501 -0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1395 0.3236 -2.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9564 1.1849 -2.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0341 1.1322 -0.9202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4632 -0.2412 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6854 -0.7799 -1.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4973 0.0275 -2.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5156 0.1669 -1.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2634 0.9173 -0.1877 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -0.5012 -1.1884 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7025 -0.3709 -0.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7922 -1.7138 0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8058 -1.6123 1.6645 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9176 -2.9175 2.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3249 -4.0658 1.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4161 -5.3229 2.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4241 -5.1607 3.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8067 -4.8601 2.9781 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7159 -4.7313 4.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1282 -4.4234 3.6965 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0112 0.0579 -0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 1.3910 -1.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 2.4987 -0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3579 3.7972 -1.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6731 4.1462 -1.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5358 5.4754 -2.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8697 5.7815 -3.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8241 7.0608 -4.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7515 7.6983 -4.0926 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9567 7.5143 -4.6875 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0556 -3.2707 1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4186 -2.6696 1.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5500 -2.8836 2.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4264 -1.1128 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6675 -0.8988 2.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9045 -0.4731 1.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3998 -0.1768 2.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0850 1.3681 2.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5462 1.9895 1.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8530 0.7675 -0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2676 2.4421 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7781 0.1049 -1.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6707 1.3270 -1.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2402 3.2219 -0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 2.7977 -0.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6366 0.2598 0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9102 -0.1742 -1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8914 -0.7573 -2.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7287 0.4902 -2.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2201 2.2566 -2.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3512 0.8945 -2.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1789 1.8320 -1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 1.4253 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8814 -0.2355 0.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 -0.9260 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2722 -1.7744 -1.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3177 -1.0533 -2.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 -0.4404 -3.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7449 1.0596 -2.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 0.3490 0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0327 -2.5039 -0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7974 -1.8732 1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4931 -0.8168 2.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8197 -1.3486 1.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9468 -3.1250 2.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6498 -2.7265 3.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3270 -3.8800 1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5725 -4.2007 0.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6853 -6.1832 1.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3909 -5.5260 2.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1628 -4.3961 4.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4313 -6.1313 4.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1248 -5.6927 2.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8580 -3.9138 2.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3933 -3.8889 4.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7634 -5.6652 4.7803 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0520 -3.7070 2.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7057 -4.0225 4.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5510 -5.4074 3.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7894 0.1559 0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3617 -0.6860 -1.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9225 1.6064 -1.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2354 1.2851 -2.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5578 2.3448 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2862 2.5813 0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 3.7043 -2.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0639 4.6351 -0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9862 3.4117 -2.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4813 4.2550 -1.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2167 6.2178 -1.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7756 5.2840 -3.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6165 5.8170 -2.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1108 4.9312 -3.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6947 6.8558 -4.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 19 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 1 39 1 0 1 40 1 0 1 41 1 0 2 42 1 0 2 43 1 0 3 44 1 0 3 45 1 0 4 46 1 0 4 47 1 0 5 48 1 0 5 49 1 0 6 50 1 0 6 51 1 0 7 52 1 0 8 53 1 0 9 54 1 0 9 55 1 0 10 56 1 0 10 57 1 0 11 58 1 0 11 59 1 0 12 60 1 0 12 61 1 0 13 62 1 0 13 63 1 0 14 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 19 68 1 0 20 69 1 0 20 70 1 0 21 71 1 0 21 72 1 0 22 73 1 0 22 74 1 0 23 75 1 0 23 76 1 0 24 77 1 0 24 78 1 0 25 79 1 0 25 80 1 0 26 81 1 0 26 82 1 0 27 83 1 0 27 84 1 0 28 85 1 0 28 86 1 0 28 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 38102 1 0 M END